2-Amino-3-bromo-5-fluorobenzonitrile

Name: 2-Amino-3-bromo-5-fluorobenzonitrile
Brand: ChemScene
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CAS No. 1403667-47-9
Cat. No. CS-0150049
Purity≥95%
MDL No.MFCD22566641

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-Amino-3-bromo-5-fluorobenzonitrile|CS-0150049

Structure of 1403667-47-9

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General Information

CAS No. 1403667-47-9
Cat. No. CS-0150049
Purity ≥95%
MDL No. MFCD22566641
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrFN₂
Molecular Weight 215.02
Synonym(s) 2-Bromo-6-cyano-4-fluoroaniline, 3-Bromo-5-fluoroanthranilonitrile
SMILES N#CC1=C(C(=CC(=C1)F)Br)N

Description

2-Amino-3-bromo-5-fluorobenzonitrile features a strategically positioned amino group and dual halogen substituents enabling direct coupling in cross-coupling reactions. The electron-deficient aromatic core facilitates efficient transition metal catalysis, while the nitrile moiety offers synthetic versatility for downstream functionalization. This bench-stable compound serves as a key building block in the synthesis of bioactive heterocycles and advanced pharmaceutical intermediates.

Application

2-Amino-3-bromo-5-fluorobenzonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its compatible bromo and nitrile functionalities. The amino group provides additional site for derivatization, while the fluorine substituent enhances metabolic stability and modulates electronic properties. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for iterative synthesis of complex heterocyclic scaffolds and API intermediates.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 49.81
LogP 2.04208
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Amino-3-bromo-5-fluorobenzonitrile

CAS No. 1403667-47-9

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